1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride

C15H24BrClN2O2S — CID 119912042

IUPAC1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O2S.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H
InChIKeyIVQPNZOCLUHCRC-UHFFFAOYSA-N
MW411.79 g/mol
LogP2.85
Rot. Bonds5

About 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119912042) has the molecular formula C15H24BrClN2O2S and a molecular weight of 411.79 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119912042
Molecular FormulaC15H24BrClN2O2S
Molecular Weight411.79 g/mol
Exact Mass410.04
IUPAC Name1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H23BrN2O2S.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H
InChIKeyIVQPNZOCLUHCRC-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
CID 63256082
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920924
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
CID 63250076
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
1-[1-[(3-bromo-5-nitrophenyl)methyl]piperidin-2-yl]ethanamine
CID 103351301

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119912042) is 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is IVQPNZOCLUHCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H.
What are the key properties of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 411.79 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119912042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).